(4-nitrophenyl)methyl 2-(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-3-phenoxy-azetidin-1-yl)-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-3-phenoxy-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetamido-2-chlorosulfinyl-4-oxo-3-phenoxy-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(2-acetamido-2-chlorosulfinyl-4-oxo-3-phenoxy-1-azetidinyl)-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetamido-2-chlorosulfinyl-4-oxo-3-phenoxyazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(2-acetamido-2-chlorosulfinyl-4-keto-3-phenoxy-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C23H22ClN3O8S MolecularWeight: 535.95408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C(C2(NC(=O)C)S(=O)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C(C2(NC(=O)C)S(=O)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C23H22ClN3O8S/c1-14(2)19(22(30)34-13-16-9-11-17(12-10-16)27(31)32)26-21(29)20(35-18-7-5-4-6-8-18)23(26,36(24)33)25-15(3)28/h4-12,19-20H,1,13H2,2-3H3,(H,25,28)